3-hydroxy-N-(pyridin-2-yl)naphthalene-2-carboxamide

• ChemBase ID: 233928
• Molecular Formular: C16H12N2O2
• Molecular Mass: 264.27868
• Monoisotopic Mass: 264.08987763
• SMILES: c1(C(=O)Nc2ncccc2)cc2c(cc1O)cccc2
• Canonical SMILES: O=C(c1cc2ccccc2cc1O)Nc1ccccn1
• InChI: InChI=1S/C16H12N2O2/c19-14-10-12-6-2-1-5-11(12)9-13(14)16(20)18-15-7-3-4-8-17-15/h1-10,19H,(H,17,18,20)
• InChIKey: PHRLXUJXDQNSFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N-(pyridin-2-yl)naphthalene-2-carboxamide
• IUPAC Traditional name: 3-hydroxy-N-(pyridin-2-yl)naphthalene-2-carboxamide
• Synonyms: 3-hydroxy-N-pyridin-2-yl-2-naphthamide

Database IDs

• CAS Number: 24445-26-9
• MDL Number: MFCD06335042
• PubChem SID: 164289838
• PubChem CID: 481483

CALCULATED PROPERTIES

• Acid pKa: 7.680624
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1243412
• LogD (pH = 7.4): 2.946549
• Log P: 3.1278272
• Molar Refractivity: 78.1792 cm^3
• Polarizability: 30.169163 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 236 - 238°C
• Hydrophobicity(logP): 3.777

Product Information

• Purity: 95%